3-bromo-N-[(Z)-(1,3-diphenylpyrazol-4-yl)methylideneamino]benzamide
Formula:C23H17N4OBr
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-bromo-N-[(Z)-(1,3-diphenylpyrazol-4-yl)methylideneamino]benzamide is a drug-like molecule.
| MolName | 3-bromo-N-[(Z)-(1,3-diphenylpyrazol-4-yl)methylideneamino]benzamide |
| MolecularFormula | C23H17N4OBr |
| Smiles | O=C(c1cccc(Br)c1)N/N=C\c1cn(-c2ccccc2)nc1-c1ccccc1 |
| InChI | InChI=1S/C23H17BrN4O/c24-20-11-7-10-18(14-20)23(29)26-25-15-19-16-28(21-12-5-2-6-13-21)27-22(19)17-8-3-1-4-9-17/h1-16H,(H,26,29) |
| InChIK | JUUOXNNEYYTTEN-UHFFFAOYSA-N |
| TotalMolweight | 445.319 |
| Molweight | 445.319 |
| MonoisotopicMass | 444.058572 |
| CLogP | 4.8458 |
| CLogS | -6.068 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 313.1 |
| Relative PSA | 0.17199 |
| PolarSurfaceArea | 59.28 |
| Druglikeness | 4.1221 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.51724 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 2 |
| StereoCon |
Click to Load Molecule:
1 - 3-bromo-N-[(Z)-(1,3-diphenylpyrazol-4-yl)methylideneamino]benzamide | 2 - 3-bromo-N-[(Z)-(1,3-diphenylpyrazol-4-yl)methylideneamino]benzamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off